N-(4,6-dimethyl-2-oxo-1,2-dihydropyridin-1-yl)-3-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)propanamide

• ChemBase ID: 684849
• Molecular Formular: C18H19N3O4
• Molecular Mass: 341.36116
• Monoisotopic Mass: 341.1375561
• SMILES: n1(c(=O)cc(cc1C)C)NC(=O)CCN1C(=O)COc2c1cccc2
• Canonical SMILES: O=C(Nn1c(C)cc(cc1=O)C)CCN1C(=O)COc2c1cccc2
• InChI: InChI=1S/C18H19N3O4/c1-12-9-13(2)21(17(23)10-12)19-16(22)7-8-20-14-5-3-4-6-15(14)25-11-18(20)24/h3-6,9-10H,7-8,11H2,1-2H3,(H,19,22)
• InChIKey: DPXZSWIUWUHEBE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4,6-dimethyl-2-oxo-1,2-dihydropyridin-1-yl)-3-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)propanamide
• IUPAC Traditional name: N-(2,4-dimethyl-6-oxopyridin-1-yl)-3-(3-oxo-2H-1,4-benzoxazin-4-yl)propanamide
• Synonyms: N-(4,6-dimethyl-2-oxo-1(2H)-pyridinyl)-3-(3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.781639
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.42984816
• LogD (pH = 7.4): 0.42827404
• Log P: 0.42986828
• Molar Refractivity: 93.0936 cm^3
• Polarizability: 34.814705 Å^3
• Polar Surface Area: 78.95 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.01
• LOG S: -3.5
• Polar Surface Area: 80.64 Å^2
• Rotatable Bonds: 4